SCHEMBL4520405

SCHEMBL4520405

O=C(O)N1CC[C@@H](N(C(=O)c2cccc(Cl)c2Cl)C2C[C@H]3CC[C@H]3C2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.47
SLC6A4 P31645 10/20 0.47
SLC6A3 Q01959 10/20 0.47
KCNH2 Q12809 6/20 0.47
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
P2RX7 Q99572 2/20 0.37
OPRK1 P41145 1/20 0.37
NOTUM Q6P988 1/20 0.37
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4520408 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3KCNH2RAB9A
SCHEMBL5888157 0.90 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KCNH2RAB9A
SCHEMBL5328738 0.89 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2RAB9A
SCHEMBL5887977 0.88 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KCNH2RAB9A
SCHEMBL5887975 0.86 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2RAB9A
SCHEMBL13712526 0.85 JAK2 (0.48) SLC6A2SLC6A4SLC6A3KCNH2MEN1
SCHEMBL5888140 0.79 HPGD (0.52) SLC6A2SLC6A4SLC6A3KCNH2RAB9A
SCHEMBL5888222 0.78 HPGD (0.54) SLC6A2SLC6A4SLC6A3KCNH2RAB9A
SCHEMBL5887986 0.78 HPGD (0.54) SLC6A2SLC6A4SLC6A3KCNH2RAB9A
SCHEMBL4503259 0.78 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1828119-A1 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-09-05 EP disclosed
WO-2006064332-A1 N-PYRROLIDIN-3YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2006-06-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090239929-A1 N-Pyrrolidin-3-YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors TPH1, TPH2, HTR1A SLC6A2 7/4885SLC6A4 13/4885SLC6A3 150/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.